1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C26H27N9O3 — CID 71128305

About 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 71128305) has the molecular formula C26H27N9O3 and a molecular weight of 513.56 g/mol. Its IUPAC name is 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 71128305
• Molecular Formula: C26H27N9O3
• Molecular Weight: 513.56 g/mol
• Exact Mass: 513.22
• IUPAC Name: 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1c(C2CC3CC[C@H](C2)N3C(=O)c2ncn[nH]2)nc2c(-c3cnc4c(c3)CCC4O)cnn2c1N
• InChI: InChI=1S/C26H27N9O3/c1-12(36)20-22(14-7-16-3-4-17(8-14)34(16)26(38)24-29-11-30-33-24)32-25-18(10-31-35(25)23(20)27)15-6-13-2-5-19(37)21(13)28-9-15/h6,9-11,14,16-17,19,37H,2-5,7-8,27H2,1H3,(H,29,30,33)/t14?,16-,17?,19?/m1/s1
• InChIKey: WODMNEZFSVMSLW-DNYJNDDNSA-N
• XLogP: 2.22
• TPSA: 168.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.56
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 71128305) is 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CC3CC[C@H](C2)N3C(=O)c2ncn[nH]2)nc2c(-c3cnc4c(c3)CCC4O)cnn2c1N.

What is the InChIKey of 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is WODMNEZFSVMSLW-DNYJNDDNSA-N. The full InChI is InChI=1S/C26H27N9O3/c1-12(36)20-22(14-7-16-3-4-17(8-14)34(16)26(38)24-29-11-30-33-24)32-25-18(10-31-35(25)23(20)27)15-6-13-2-5-19(37)21(13)28-9-15/h6,9-11,14,16-17,19,37H,2-5,7-8,27H2,1H3,(H,29,30,33)/t14?,16-,17?,19?/m1/s1.

What are the key properties of 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 513.56 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-amino-3-(7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 71128305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).